(2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H27N4O4S2+ MolecularWeight: 463.59348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C21H26N4O4S2/c1-23-11-13-24(14-12-23)31(28,29)17-8-6-16(7-9-17)22-20(26)18-4-2-10-25(18)21(27)19-5-3-15-30-19/h3,5-9,15,18H,2,4,10-14H2,1H3,(H,22,26)/p+1/t18-/m0/s1